SMILES:
CCCCN1N=C(c2ccc3c(c2)C(C)(C)CC(=O)N3C)C(C)CC1=OMolecular Processing
Molecular formula
C21H29N3O2
Molecular weight
355.48
Exact mass
355.226
XLogP
3.7
TPSA
52.98
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
104.43
Supplementary Information
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